1-(hydroxymethyl)-5-nitro-1H-indole-2,3-dione
Chemical Structure Depiction of
1-(hydroxymethyl)-5-nitro-1H-indole-2,3-dione
1-(hydroxymethyl)-5-nitro-1H-indole-2,3-dione
Compound characteristics
| Compound ID: | K028-0032 |
| Compound Name: | 1-(hydroxymethyl)-5-nitro-1H-indole-2,3-dione |
| Molecular Weight: | 222.15 |
| Molecular Formula: | C9 H6 N2 O5 |
| Smiles: | C(N1C(C(c2cc(ccc12)[N+]([O-])=O)=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 0.3355 |
| logD: | 0.3355 |
| logSw: | -2.3254 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.53 |
| InChI Key: | ASIHQEBKJWFMQT-UHFFFAOYSA-N |